CID 16073796

Chembl418741

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)COC3=CC=CC(=C3)OC)N)N)C
InChI
InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-7-4-6-13(10-14)12-26-16-9-5-8-15(11-16)25-3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
InChIKey
HDNCDAIQTLSPPL-UHFFFAOYSA-N
Compound name
1-[3-[(3-methoxyphenoxy)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

353.18518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 187.2
[M+Na]+ 376.17440 195.6
[M-H]- 352.17790 192.8
[M+NH4]+ 371.21900 197.1
[M+K]+ 392.14834 190.3
[M+H-H2O]+ 336.18244 175.8
[M+HCOO]- 398.18338 206.9
[M+CH3COO]- 412.19903 219.9
[M+Na-2H]- 374.15985 190.9
[M]+ 353.18463 187.3
[M]- 353.18573 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.